1-[4-(benzhydrylideneamino)-3-fluorophenyl]-2-methylpropan-2-ol

C23H22FNO — CID 125466439

IUPAC1-[4-(benzhydrylideneamino)-3-fluorophenyl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc(N=C(c2ccccc2)c2ccccc2)c(F)c1
InChIInChI=1S/C23H22FNO/c1-23(2,26)16-17-13-14-21(20(24)15-17)25-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,26H,16H2,1-2H3
InChIKeyPAIBSUVHMJTZCE-UHFFFAOYSA-N
MW347.43 g/mol
LogP5.31
Rot. Bonds5

About 1-[4-(benzhydrylideneamino)-3-fluorophenyl]-2-methylpropan-2-ol

1-[4-(benzhydrylideneamino)-3-fluorophenyl]-2-methylpropan-2-ol (PubChem CID 125466439) has the molecular formula C23H22FNO and a molecular weight of 347.43 g/mol. Its IUPAC name is 1-[4-(benzhydrylideneamino)-3-fluorophenyl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(benzhydrylideneamino)-3-fluorophenyl]-2-methylpropan-2-ol
PubChem CID125466439
Molecular FormulaC23H22FNO
Molecular Weight347.43 g/mol
Exact Mass347.17
IUPAC Name1-[4-(benzhydrylideneamino)-3-fluorophenyl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc(N=C(c2ccccc2)c2ccccc2)c(F)c1
InChIInChI=1S/C23H22FNO/c1-23(2,26)16-17-13-14-21(20(24)15-17)25-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,26H,16H2,1-2H3
InChIKeyPAIBSUVHMJTZCE-UHFFFAOYSA-N
XLogP5.31
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.43
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzhydrylideneamino)-3-fluorophenyl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(benzhydrylideneamino)-3-fluorophenyl]-2-methylpropan-2-ol (CID 125466439) is 1-[4-(benzhydrylideneamino)-3-fluorophenyl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(benzhydrylideneamino)-3-fluorophenyl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(benzhydrylideneamino)-3-fluorophenyl]-2-methylpropan-2-ol is CC(C)(O)Cc1ccc(N=C(c2ccccc2)c2ccccc2)c(F)c1.
What is the InChIKey of 1-[4-(benzhydrylideneamino)-3-fluorophenyl]-2-methylpropan-2-ol?
The InChIKey is PAIBSUVHMJTZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO/c1-23(2,26)16-17-13-14-21(20(24)15-17)25-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,26H,16H2,1-2H3.
What are the key properties of 1-[4-(benzhydrylideneamino)-3-fluorophenyl]-2-methylpropan-2-ol?
1-[4-(benzhydrylideneamino)-3-fluorophenyl]-2-methylpropan-2-ol has a molecular weight of 347.43 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzhydrylideneamino)-3-fluorophenyl]-2-methylpropan-2-ol is sourced from PubChem (CID 125466439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).